CID 54694251

37704-44-2

Structural Information

Molecular Formula
C12H15NO4
SMILES
COC(=O)C1=C2CCCCCN2C(=O)C=C1O
InChI
InChI=1S/C12H15NO4/c1-17-12(16)11-8-5-3-2-4-6-13(8)10(15)7-9(11)14/h7,14H,2-6H2,1H3
InChIKey
SFHKBRKOHLUOMZ-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

237.10011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 145.6
[M+Na]+ 260.089328 152.0
[M-H]- 236.092834 148.9
[M+NH4]+ 255.133933 161.6
[M+K]+ 276.063268 154.6
[M+H-H2O]+ 220.097370 140.0
[M+HCOO]- 282.098311 163.2
[M+CH3COO]- 296.113961 190.3
[M+Na-2H]- 258.074776 149.8
[M]+ 237.09956142 143.1
[M]- 237.10065858 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.